2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol

C20H44NO5P — CID 21256159

IUPAC2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CC)COP(=O)(OCC(CC)CCCC)N(CCO)CCO
InChIInChI=1S/C20H44NO5P/c1-5-9-11-19(7-3)17-25-27(24,21(13-15-22)14-16-23)26-18-20(8-4)12-10-6-2/h19-20,22-23H,5-18H2,1-4H3
InChIKeyOCMADPQTQPMHLG-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.85
Rot. Bonds19

About 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol

2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol (PubChem CID 21256159) has the molecular formula C20H44NO5P and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol
PubChem CID21256159
Molecular FormulaC20H44NO5P
Molecular Weight409.55 g/mol
Exact Mass409.30
IUPAC Name2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CC)COP(=O)(OCC(CC)CCCC)N(CCO)CCO
InChIInChI=1S/C20H44NO5P/c1-5-9-11-19(7-3)17-25-27(24,21(13-15-22)14-16-23)26-18-20(8-4)12-10-6-2/h19-20,22-23H,5-18H2,1-4H3
InChIKeyOCMADPQTQPMHLG-UHFFFAOYSA-N
XLogP4.85
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethylhexyl) 2-(2-hydroxyethyl)hexyl phosphate
CID 169438347
2-ethylhexyl dihydrogen phosphate;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 139033189
CID 87184341
CID 87184341
CID 131883274
CID 131883274
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
butyl(2-ethylhexoxy)phosphinic acid
CID 57079247
bis[bis(2-ethylhexoxy)phosphoryloxy]indiganyl bis(2-ethylhexyl) phosphate
CID 16704221
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
magnesium bis(2-ethylhexyl) phosphate
CID 23071492

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol (CID 21256159) is 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol is CCCCC(CC)COP(=O)(OCC(CC)CCCC)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OCMADPQTQPMHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44NO5P/c1-5-9-11-19(7-3)17-25-27(24,21(13-15-22)14-16-23)26-18-20(8-4)12-10-6-2/h19-20,22-23H,5-18H2,1-4H3.
What are the key properties of 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol?
2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 409.55 g/mol, XLogP of 4.85, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethylhexoxy)phosphoryl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 21256159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).